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Home > Nitro Compounds > 155049-67-5
155049-67-5 | Pyridine, 4-[4-(4-nitrophenyl)-1,3-butadiyn-1-yl]-
CAS No: 155049-67-5 Catalog No: AG001NKW MDL No:
Product Description
Catalog Number:
AG001NKW
Chemical Name:
Pyridine, 4-[4-(4-nitrophenyl)-1,3-butadiyn-1-yl]-
CAS Number:
155049-67-5
Molecular Formula:
C15H8N2O2
Molecular Weight:
248.2362
IUPAC Name:
4-[4-(4-nitrophenyl)buta-1,3-diynyl]pyridine
InChI:
InChI=1S/C15H8N2O2/c18-17(19)15-7-5-13(6-8-15)3-1-2-4-14-9-11-16-12-10-14/h5-12H
InChI Key:
XYNLCAYVCYKHTL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C#CC#Cc1ccncc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.241g/mol
Monoisotopic Mass:
248.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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